5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole
TL;DR: 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole (CAS 1029636-52-9) is a chemical compound with molecular formula C18H9F17N2O and molecular weight 592.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-(4-methoxyphenyl)-1H-pyrazole
Also Known As: 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-(4-methoxyphenyl)-2H-pyrazole, 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-(4-methoxyphenyl)-1H-pyrazole
| Molecular Formula | C18H9F17N2O |
|---|---|
| Molecular Weight | 592.04 g/mol |
| LogP | 7.5512 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 592.0443 |
| Heavy Atoms | 38 |
| Complexity | 1134.528 |
Chemical Identifiers
| CAS Number | 1029636-52-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole (CAS 1029636-52-9), with molecular formula C18H9F17N2O and molecular weight 592.04 g/mol. IUPAC: 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-(4-methoxyphenyl)-1H-pyrazole.
Chemical Property Profile of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole
Property Insights of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole
The XLogP value of 7.5512 indicates that 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole?
The CAS number of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole is 1029636-52-9.
What is the molecular formula of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole?
The molecular formula of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole is C18H9F17N2O.
What is the molecular weight of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole?
The molecular weight of 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole is 592.04 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole?
You can request a quote for 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-3-perfluorooctyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.